Molecule

ID:18801

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-2-6-11-9(3-1)12-8-4-5-10-7-8/h8-10H,1-7H2
InChIKey
JCZDMBKPCOKANB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(OC1)OC1CNCC1
Isomeric Smiles
N1CCC(OC2OCCCC2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6251626
LogD (pH = 7.4)
-2.241272
Log P
0.6089151
Molar Refractivity
46.337
Polarizability
18.76417
Polar Surface Area
30.49
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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